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4-Isothiazolol, 3-phenyl-, acetate (ester)
SpectraBase Compound ID L4hDl40t5PK
InChI InChI=1S/C11H9NO2S/c1-8(13)14-10-7-15-12-11(10)9-5-3-2-4-6-9/h2-7H,1H3
InChIKey GJGZLCCNDLHYEU-UHFFFAOYSA-N
Mol Weight 219.26 g/mol
Molecular Formula C11H9NO2S
Exact Mass 219.0354 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Biq1L4IwJEk
Name 4-Isothiazolol, 3-phenyl-, acetate (ester)
Alternate Name(s) 3-Phenyl-4-isothiazolyl acetate (3-phenyl-1,2-thiazol-4-yl) acetate (3-phenyl-1,2-thiazol-4-yl) ethanoate (3-phenylisothiazol-4-yl) acetate Acetic acid (3-phenyl-4-isothiazolyl) ester Acetic acid (3-phenylisothiazol-4-yl) ester
CAS Registry Number 20459-06-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H9NO2S
InChI InChI=1S/C11H9NO2S/c1-8(13)14-10-7-15-12-11(10)9-5-3-2-4-6-9/h2-7H,1H3
InChIKey GJGZLCCNDLHYEU-UHFFFAOYSA-N
Molecular Weight 219.258 g/mol
SMILES CC(=O)Oc1csnc1-c1ccccc1
SPLASH splash10-0fbc-8900000000-9c3dbb00d626c1646afd
Source of Spectrum T-68-2108-0
Wiley ID 28072